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Chemical ID: 6000894
Chemical ID:
6000894
Name [?]:
2-allylamino-N-(5-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CNCC=C
InChi [?]:
InChI=1/C9H13N3OS/c1-3-4-10-6-8(13)12-9-11-5-7(2)14-9/h3,5,10H,1,4,6H2,2H3,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:14,1,13,12,3,10,2,8,5,11,4,7,9,6/rA:14nCCCNCSNCOCNCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N3OS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75798 |
Area: | 412.61 |
Solvation: | -3.55728 |
Coulombic: | -34.0666 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.4 |
LogP (Chemaxon): | 0.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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